(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde
TL;DR: (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde (CAS 130663-57-9) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde
Also Known As: NCI60_015880, (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde, 2-(4-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)acetaldehyde, 4-acetyl-5-hydroxy-2-(2-oxoethyl)-2,3-dihydrobenzo[b]furan, 2-(4-acetyl-5-hydroxy-1,3-dihydroisobenzofuran-1-yl)acetaldehyde
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 130663-57-9 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC2=C1CC(O2)CC=O)O |
| InChIKey | IOCACIKXLSCBKU-UHFFFAOYSA-N |
Product Overview
(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde (CAS 130663-57-9), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2-(4-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde.
Chemical Property Profile of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde
Property Insights of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde. Following Lipinski's Rule of Five, (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde?
The CAS number of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde is 130663-57-9.
What is the molecular formula of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde?
The molecular formula of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde is C12H12O4.
What is the molecular weight of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde?
The molecular weight of (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde is 220.07 g/mol.
Where can I buy (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde?
You can request a quote for (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.